2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

C15H22N4OS — CID 80623770

IUPAC2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(OCCCc2ccncc2)s1
InChIInChI=1S/C15H22N4OS/c1-15(2,3)17-11-13-18-19-14(21-13)20-10-4-5-12-6-8-16-9-7-12/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyONUWQWIBEBKJIF-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.83
Rot. Bonds7

About 2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (PubChem CID 80623770) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
PubChem CID80623770
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1nnc(OCCCc2ccncc2)s1
InChIInChI=1S/C15H22N4OS/c1-15(2,3)17-11-13-18-19-14(21-13)20-10-4-5-12-6-8-16-9-7-12/h6-9,17H,4-5,10-11H2,1-3H3
InChIKeyONUWQWIBEBKJIF-UHFFFAOYSA-N
XLogP2.83
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 78974931
N-[[5-(2-ethoxyethoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624275
[5-(3-phenylpropoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80619347
2-methyl-N-[[5-(2-piperidin-1-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 80619924
N-[[5-(3,4-dimethylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624313
N-[[5-(3-methoxyphenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 80624786
N-[(5-pentoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80623305
N-methyl-1-[5-(4-methylpentoxy)-1,3,4-thiadiazol-2-yl]methanamine
CID 80624765
1-(5-heptoxy-1,3,4-thiadiazol-2-yl)-N-methylmethanamine
CID 80623732
(2S)-N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901364
2-methyl-N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62551604
N-[(5-hexoxy-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80624766

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine (CID 80623770) is 2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1nnc(OCCCc2ccncc2)s1.
What is the InChIKey of 2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
The InChIKey is ONUWQWIBEBKJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-15(2,3)17-11-13-18-19-14(21-13)20-10-4-5-12-6-8-16-9-7-12/h6-9,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine has a molecular weight of 306.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(3-pyridin-4-ylpropoxy)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 80623770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).